USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 HIS : no HD1:sc= -3.35! C(o=-5.1!,f=-11!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -140:sc= -1.79 (180deg=-3.81!) USER MOD Set 2.1: A 26 SER OG : rot -83:sc= 0.808 USER MOD Set 2.2: A 32 MET CE :methyl 149:sc= -0.109 (180deg=-0.702) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -0.882 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.307 K(o=-2.7,f=-8.6!) USER MOD Set 3.3: A 60 CYS SG : rot 180:sc= -1.55 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00761 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.114 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 11 SER OG : rot 90:sc= 0.452 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.437 K(o=0.44,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.0524 (180deg=-0.313) USER MOD Single : A 29 SER OG : rot 180:sc= -0.246 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= -0.355 (180deg=-0.378) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.031 K(o=0.031,f=-5!) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.175) USER MOD Single : A 48 TYR OH : rot 130:sc= 0.375 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -74:sc= 1.22 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -6.64! C(o=-6.6!,f=-9!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.575) USER MOD Single : A 82 ASN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.587 -6.598 13.524 1.00 0.00 N ATOM 2 CA GLY A 1 -29.573 -6.355 14.560 1.00 0.00 C ATOM 3 C GLY A 1 -30.986 -6.298 14.014 1.00 0.00 C ATOM 4 O GLY A 1 -31.785 -7.205 14.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.638 -6.628 13.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.788 -7.507 13.060 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.627 -5.834 12.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.508 -7.143 15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.343 -5.416 15.063 1.00 0.00 H new ATOM 8 N SER A 2 -31.296 -5.229 13.287 1.00 0.00 N ATOM 9 CA SER A 2 -32.624 -5.056 12.711 1.00 0.00 C ATOM 10 C SER A 2 -32.650 -5.517 11.257 1.00 0.00 C ATOM 11 O SER A 2 -33.577 -6.204 10.829 1.00 0.00 O ATOM 12 CB SER A 2 -33.054 -3.590 12.800 1.00 0.00 C ATOM 13 OG SER A 2 -32.145 -2.749 12.113 1.00 0.00 O ATOM 0 H SER A 2 -30.646 -4.470 13.083 1.00 0.00 H new ATOM 0 HA SER A 2 -33.323 -5.668 13.281 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.052 -3.474 12.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.114 -3.288 13.846 1.00 0.00 H new ATOM 0 HG SER A 2 -32.443 -1.818 12.184 1.00 0.00 H new ATOM 19 N SER A 3 -31.625 -5.134 10.503 1.00 0.00 N ATOM 20 CA SER A 3 -31.531 -5.504 9.095 1.00 0.00 C ATOM 21 C SER A 3 -30.853 -6.861 8.935 1.00 0.00 C ATOM 22 O SER A 3 -30.006 -7.244 9.741 1.00 0.00 O ATOM 23 CB SER A 3 -30.757 -4.439 8.316 1.00 0.00 C ATOM 24 OG SER A 3 -30.843 -4.665 6.920 1.00 0.00 O ATOM 0 H SER A 3 -30.848 -4.568 10.843 1.00 0.00 H new ATOM 0 HA SER A 3 -32.542 -5.573 8.694 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.153 -3.451 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.712 -4.446 8.625 1.00 0.00 H new ATOM 0 HG SER A 3 -30.342 -3.970 6.445 1.00 0.00 H new ATOM 30 N GLY A 4 -31.233 -7.586 7.887 1.00 0.00 N ATOM 31 CA GLY A 4 -30.652 -8.892 7.638 1.00 0.00 C ATOM 32 C GLY A 4 -31.231 -9.560 6.407 1.00 0.00 C ATOM 33 O GLY A 4 -31.553 -10.748 6.429 1.00 0.00 O ATOM 0 H GLY A 4 -31.933 -7.292 7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.573 -8.789 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.817 -9.531 8.506 1.00 0.00 H new ATOM 37 N SER A 5 -31.366 -8.794 5.329 1.00 0.00 N ATOM 38 CA SER A 5 -31.916 -9.317 4.084 1.00 0.00 C ATOM 39 C SER A 5 -30.813 -9.540 3.054 1.00 0.00 C ATOM 40 O SER A 5 -29.710 -9.009 3.184 1.00 0.00 O ATOM 41 CB SER A 5 -32.966 -8.356 3.522 1.00 0.00 C ATOM 42 OG SER A 5 -33.854 -9.027 2.645 1.00 0.00 O ATOM 0 H SER A 5 -31.102 -7.809 5.293 1.00 0.00 H new ATOM 0 HA SER A 5 -32.388 -10.276 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.528 -7.908 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.472 -7.542 2.991 1.00 0.00 H new ATOM 0 HG SER A 5 -34.516 -8.392 2.301 1.00 0.00 H new ATOM 48 N SER A 6 -31.119 -10.330 2.030 1.00 0.00 N ATOM 49 CA SER A 6 -30.153 -10.629 0.979 1.00 0.00 C ATOM 50 C SER A 6 -29.812 -9.373 0.182 1.00 0.00 C ATOM 51 O SER A 6 -28.645 -9.092 -0.087 1.00 0.00 O ATOM 52 CB SER A 6 -30.702 -11.707 0.043 1.00 0.00 C ATOM 53 OG SER A 6 -31.791 -11.215 -0.718 1.00 0.00 O ATOM 0 H SER A 6 -32.028 -10.775 1.906 1.00 0.00 H new ATOM 0 HA SER A 6 -29.242 -10.998 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.912 -12.049 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.022 -12.571 0.626 1.00 0.00 H new ATOM 0 HG SER A 6 -32.123 -11.922 -1.309 1.00 0.00 H new ATOM 59 N GLY A 7 -30.842 -8.620 -0.193 1.00 0.00 N ATOM 60 CA GLY A 7 -30.633 -7.404 -0.956 1.00 0.00 C ATOM 61 C GLY A 7 -30.479 -7.669 -2.440 1.00 0.00 C ATOM 62 O GLY A 7 -31.094 -8.588 -2.981 1.00 0.00 O ATOM 0 H GLY A 7 -31.817 -8.831 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.474 -6.730 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.742 -6.896 -0.587 1.00 0.00 H new ATOM 66 N SER A 8 -29.656 -6.862 -3.102 1.00 0.00 N ATOM 67 CA SER A 8 -29.427 -7.010 -4.534 1.00 0.00 C ATOM 68 C SER A 8 -28.726 -8.331 -4.838 1.00 0.00 C ATOM 69 O SER A 8 -28.228 -9.005 -3.936 1.00 0.00 O ATOM 70 CB SER A 8 -28.590 -5.843 -5.062 1.00 0.00 C ATOM 71 OG SER A 8 -27.317 -5.807 -4.443 1.00 0.00 O ATOM 0 H SER A 8 -29.136 -6.099 -2.669 1.00 0.00 H new ATOM 0 HA SER A 8 -30.396 -7.008 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 8 -28.470 -5.936 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 8 -29.113 -4.904 -4.879 1.00 0.00 H new ATOM 0 HG SER A 8 -26.801 -5.053 -4.799 1.00 0.00 H new ATOM 77 N SER A 9 -28.692 -8.695 -6.116 1.00 0.00 N ATOM 78 CA SER A 9 -28.056 -9.937 -6.540 1.00 0.00 C ATOM 79 C SER A 9 -26.646 -10.048 -5.968 1.00 0.00 C ATOM 80 O SER A 9 -26.331 -10.991 -5.242 1.00 0.00 O ATOM 81 CB SER A 9 -28.007 -10.014 -8.067 1.00 0.00 C ATOM 82 OG SER A 9 -27.448 -8.835 -8.620 1.00 0.00 O ATOM 0 H SER A 9 -29.097 -8.148 -6.875 1.00 0.00 H new ATOM 0 HA SER A 9 -28.650 -10.769 -6.160 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.416 -10.878 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.013 -10.162 -8.459 1.00 0.00 H new ATOM 0 HG SER A 9 -27.426 -8.910 -9.597 1.00 0.00 H new ATOM 88 N ALA A 10 -25.801 -9.078 -6.302 1.00 0.00 N ATOM 89 CA ALA A 10 -24.425 -9.065 -5.821 1.00 0.00 C ATOM 90 C ALA A 10 -24.067 -7.711 -5.217 1.00 0.00 C ATOM 91 O ALA A 10 -24.403 -6.665 -5.771 1.00 0.00 O ATOM 92 CB ALA A 10 -23.467 -9.410 -6.952 1.00 0.00 C ATOM 0 H ALA A 10 -26.045 -8.291 -6.904 1.00 0.00 H new ATOM 0 HA ALA A 10 -24.333 -9.818 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -22.443 -9.397 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.700 -10.403 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.571 -8.678 -7.753 1.00 0.00 H new ATOM 98 N SER A 11 -23.385 -7.739 -4.076 1.00 0.00 N ATOM 99 CA SER A 11 -22.986 -6.513 -3.394 1.00 0.00 C ATOM 100 C SER A 11 -21.720 -5.933 -4.016 1.00 0.00 C ATOM 101 O SER A 11 -21.687 -4.768 -4.413 1.00 0.00 O ATOM 102 CB SER A 11 -22.759 -6.784 -1.906 1.00 0.00 C ATOM 103 OG SER A 11 -21.664 -7.661 -1.708 1.00 0.00 O ATOM 0 H SER A 11 -23.097 -8.597 -3.605 1.00 0.00 H new ATOM 0 HA SER A 11 -23.790 -5.786 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.574 -5.844 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.659 -7.218 -1.471 1.00 0.00 H new ATOM 0 HG SER A 11 -20.839 -7.139 -1.618 1.00 0.00 H new ATOM 109 N PHE A 12 -20.678 -6.755 -4.098 1.00 0.00 N ATOM 110 CA PHE A 12 -19.408 -6.324 -4.671 1.00 0.00 C ATOM 111 C PHE A 12 -19.115 -7.072 -5.968 1.00 0.00 C ATOM 112 O PHE A 12 -19.883 -7.940 -6.386 1.00 0.00 O ATOM 113 CB PHE A 12 -18.272 -6.549 -3.671 1.00 0.00 C ATOM 114 CG PHE A 12 -18.373 -7.852 -2.931 1.00 0.00 C ATOM 115 CD1 PHE A 12 -18.190 -9.056 -3.593 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.652 -7.874 -1.574 1.00 0.00 C ATOM 117 CE1 PHE A 12 -18.283 -10.256 -2.914 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.746 -9.071 -0.890 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.561 -10.264 -1.561 1.00 0.00 C ATOM 0 H PHE A 12 -20.688 -7.722 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 12 -19.481 -5.260 -4.895 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.320 -6.514 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.266 -5.731 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.972 -9.056 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.798 -6.944 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -18.138 -11.187 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.964 -9.074 0.168 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.634 -11.201 -1.029 1.00 0.00 H new ATOM 129 N THR A 13 -17.998 -6.729 -6.603 1.00 0.00 N ATOM 130 CA THR A 13 -17.604 -7.365 -7.853 1.00 0.00 C ATOM 131 C THR A 13 -16.696 -8.563 -7.598 1.00 0.00 C ATOM 132 O THR A 13 -16.289 -8.816 -6.464 1.00 0.00 O ATOM 133 CB THR A 13 -16.878 -6.375 -8.783 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.769 -5.782 -8.098 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.828 -5.286 -9.260 1.00 0.00 C ATOM 0 H THR A 13 -17.351 -6.014 -6.271 1.00 0.00 H new ATOM 0 HA THR A 13 -18.520 -7.703 -8.338 1.00 0.00 H new ATOM 0 HB THR A 13 -16.515 -6.925 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.312 -5.155 -8.697 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.293 -4.598 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.655 -5.739 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.216 -4.740 -8.400 1.00 0.00 H new ATOM 143 N LYS A 14 -16.380 -9.297 -8.659 1.00 0.00 N ATOM 144 CA LYS A 14 -15.518 -10.468 -8.551 1.00 0.00 C ATOM 145 C LYS A 14 -14.091 -10.062 -8.196 1.00 0.00 C ATOM 146 O LYS A 14 -13.450 -10.689 -7.353 1.00 0.00 O ATOM 147 CB LYS A 14 -15.524 -11.254 -9.864 1.00 0.00 C ATOM 148 CG LYS A 14 -16.689 -12.220 -9.990 1.00 0.00 C ATOM 149 CD LYS A 14 -16.377 -13.348 -10.959 1.00 0.00 C ATOM 150 CE LYS A 14 -17.597 -14.221 -11.210 1.00 0.00 C ATOM 151 NZ LYS A 14 -17.877 -15.127 -10.062 1.00 0.00 N ATOM 0 H LYS A 14 -16.708 -9.101 -9.605 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.906 -11.102 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.553 -10.552 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.591 -11.811 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.925 -12.636 -9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.574 -11.682 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.026 -12.931 -11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.567 -13.959 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.465 -13.588 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.440 -14.814 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.716 -15.705 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.059 -15.749 -9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.052 -14.561 -9.208 1.00 0.00 H new ATOM 165 N GLU A 15 -13.602 -9.009 -8.843 1.00 0.00 N ATOM 166 CA GLU A 15 -12.251 -8.520 -8.594 1.00 0.00 C ATOM 167 C GLU A 15 -12.020 -8.297 -7.102 1.00 0.00 C ATOM 168 O GLU A 15 -11.101 -8.868 -6.514 1.00 0.00 O ATOM 169 CB GLU A 15 -12.006 -7.218 -9.359 1.00 0.00 C ATOM 170 CG GLU A 15 -11.463 -7.430 -10.763 1.00 0.00 C ATOM 171 CD GLU A 15 -10.310 -8.413 -10.800 1.00 0.00 C ATOM 172 OE1 GLU A 15 -9.523 -8.442 -9.831 1.00 0.00 O ATOM 173 OE2 GLU A 15 -10.194 -9.154 -11.799 1.00 0.00 O ATOM 0 H GLU A 15 -14.121 -8.478 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.548 -9.276 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.941 -6.661 -9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.304 -6.602 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.264 -7.791 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.133 -6.474 -11.169 1.00 0.00 H new ATOM 180 N GLN A 16 -12.859 -7.463 -6.497 1.00 0.00 N ATOM 181 CA GLN A 16 -12.746 -7.163 -5.075 1.00 0.00 C ATOM 182 C GLN A 16 -12.679 -8.445 -4.252 1.00 0.00 C ATOM 183 O GLN A 16 -11.656 -8.748 -3.639 1.00 0.00 O ATOM 184 CB GLN A 16 -13.929 -6.309 -4.616 1.00 0.00 C ATOM 185 CG GLN A 16 -14.123 -5.046 -5.438 1.00 0.00 C ATOM 186 CD GLN A 16 -15.301 -4.217 -4.966 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.456 -4.612 -5.125 1.00 0.00 O ATOM 188 NE2 GLN A 16 -15.015 -3.059 -4.382 1.00 0.00 N ATOM 0 H GLN A 16 -13.625 -6.983 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.823 -6.605 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.839 -6.907 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.784 -6.034 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.216 -4.443 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.270 -5.317 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.043 -2.770 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.767 -2.458 -4.045 1.00 0.00 H new ATOM 197 N ALA A 17 -13.777 -9.195 -4.243 1.00 0.00 N ATOM 198 CA ALA A 17 -13.842 -10.445 -3.497 1.00 0.00 C ATOM 199 C ALA A 17 -12.597 -11.292 -3.735 1.00 0.00 C ATOM 200 O ALA A 17 -12.005 -11.821 -2.794 1.00 0.00 O ATOM 201 CB ALA A 17 -15.093 -11.223 -3.879 1.00 0.00 C ATOM 0 H ALA A 17 -14.633 -8.958 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.887 -10.204 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.129 -12.155 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.976 -10.626 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.071 -11.446 -4.946 1.00 0.00 H new ATOM 207 N ASP A 18 -12.204 -11.417 -4.998 1.00 0.00 N ATOM 208 CA ASP A 18 -11.028 -12.200 -5.359 1.00 0.00 C ATOM 209 C ASP A 18 -9.758 -11.554 -4.815 1.00 0.00 C ATOM 210 O ASP A 18 -8.750 -12.228 -4.602 1.00 0.00 O ATOM 211 CB ASP A 18 -10.932 -12.343 -6.879 1.00 0.00 C ATOM 212 CG ASP A 18 -11.869 -13.404 -7.421 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.727 -14.580 -7.025 1.00 0.00 O ATOM 214 OD2 ASP A 18 -12.745 -13.060 -8.242 1.00 0.00 O ATOM 0 H ASP A 18 -12.683 -10.986 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.130 -13.190 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.163 -11.386 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.907 -12.593 -7.153 1.00 0.00 H new ATOM 219 N ALA A 19 -9.813 -10.245 -4.594 1.00 0.00 N ATOM 220 CA ALA A 19 -8.667 -9.509 -4.074 1.00 0.00 C ATOM 221 C ALA A 19 -8.466 -9.785 -2.588 1.00 0.00 C ATOM 222 O ALA A 19 -7.341 -9.998 -2.134 1.00 0.00 O ATOM 223 CB ALA A 19 -8.844 -8.018 -4.317 1.00 0.00 C ATOM 0 H ALA A 19 -10.639 -9.672 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.777 -9.849 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.981 -7.480 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.931 -7.832 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.747 -7.672 -3.814 1.00 0.00 H new ATOM 229 N ILE A 20 -9.561 -9.779 -1.836 1.00 0.00 N ATOM 230 CA ILE A 20 -9.504 -10.029 -0.401 1.00 0.00 C ATOM 231 C ILE A 20 -9.030 -11.449 -0.109 1.00 0.00 C ATOM 232 O ILE A 20 -8.176 -11.664 0.751 1.00 0.00 O ATOM 233 CB ILE A 20 -10.876 -9.810 0.264 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.264 -8.332 0.207 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.851 -10.303 1.703 1.00 0.00 C ATOM 236 CD1 ILE A 20 -12.077 -7.967 -1.015 1.00 0.00 C ATOM 0 H ILE A 20 -10.499 -9.604 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.791 -9.318 0.015 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.625 -10.383 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.834 -8.080 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.358 -7.726 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.827 -10.142 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.614 -11.367 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.093 -9.754 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.316 -6.904 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.501 -8.187 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.000 -8.546 -1.024 1.00 0.00 H new ATOM 248 N ARG A 21 -9.589 -12.414 -0.832 1.00 0.00 N ATOM 249 CA ARG A 21 -9.224 -13.813 -0.651 1.00 0.00 C ATOM 250 C ARG A 21 -7.732 -14.022 -0.896 1.00 0.00 C ATOM 251 O ARG A 21 -7.105 -14.880 -0.274 1.00 0.00 O ATOM 252 CB ARG A 21 -10.035 -14.701 -1.597 1.00 0.00 C ATOM 253 CG ARG A 21 -9.594 -14.606 -3.049 1.00 0.00 C ATOM 254 CD ARG A 21 -10.203 -15.718 -3.889 1.00 0.00 C ATOM 255 NE ARG A 21 -11.611 -15.469 -4.189 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.418 -16.375 -4.731 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.959 -17.582 -5.030 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.687 -16.073 -4.974 1.00 0.00 N ATOM 0 H ARG A 21 -10.297 -12.252 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.449 -14.090 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.954 -15.737 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.087 -14.426 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.886 -13.638 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.507 -14.660 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.646 -15.815 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.107 -16.666 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.995 -14.550 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.984 -17.817 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.581 -18.275 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.043 -15.145 -4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.306 -16.769 -5.390 1.00 0.00 H new ATOM 272 N ARG A 22 -7.171 -13.231 -1.804 1.00 0.00 N ATOM 273 CA ARG A 22 -5.753 -13.330 -2.132 1.00 0.00 C ATOM 274 C ARG A 22 -4.894 -12.761 -1.006 1.00 0.00 C ATOM 275 O ARG A 22 -3.892 -13.360 -0.614 1.00 0.00 O ATOM 276 CB ARG A 22 -5.457 -12.590 -3.437 1.00 0.00 C ATOM 277 CG ARG A 22 -5.855 -13.367 -4.682 1.00 0.00 C ATOM 278 CD ARG A 22 -4.724 -14.260 -5.167 1.00 0.00 C ATOM 279 NE ARG A 22 -5.076 -14.972 -6.392 1.00 0.00 N ATOM 280 CZ ARG A 22 -5.822 -16.071 -6.416 1.00 0.00 C ATOM 281 NH1 ARG A 22 -6.292 -16.581 -5.286 1.00 0.00 N ATOM 282 NH2 ARG A 22 -6.099 -16.661 -7.571 1.00 0.00 N ATOM 0 H ARG A 22 -7.676 -12.515 -2.326 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.507 -14.385 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.983 -11.636 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.391 -12.366 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.734 -13.975 -4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.135 -12.671 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.834 -13.655 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.472 -14.980 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.730 -14.605 -7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.081 -16.129 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.865 -17.425 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.739 -16.271 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.672 -17.505 -7.588 1.00 0.00 H new ATOM 296 N ILE A 23 -5.293 -11.603 -0.492 1.00 0.00 N ATOM 297 CA ILE A 23 -4.560 -10.955 0.589 1.00 0.00 C ATOM 298 C ILE A 23 -4.500 -11.846 1.825 1.00 0.00 C ATOM 299 O ILE A 23 -3.512 -11.841 2.559 1.00 0.00 O ATOM 300 CB ILE A 23 -5.198 -9.607 0.973 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.072 -8.611 -0.182 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.548 -9.052 2.231 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.597 -7.232 0.150 1.00 0.00 C ATOM 0 H ILE A 23 -6.119 -11.094 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.549 -10.778 0.222 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.257 -9.768 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.024 -8.532 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.612 -8.998 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.010 -8.099 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.685 -9.756 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.483 -8.903 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.476 -6.579 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.654 -7.298 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.041 -6.824 0.994 1.00 0.00 H new ATOM 315 N ARG A 24 -5.563 -12.613 2.047 1.00 0.00 N ATOM 316 CA ARG A 24 -5.631 -13.511 3.194 1.00 0.00 C ATOM 317 C ARG A 24 -4.927 -14.831 2.893 1.00 0.00 C ATOM 318 O ARG A 24 -4.647 -15.616 3.797 1.00 0.00 O ATOM 319 CB ARG A 24 -7.088 -13.773 3.577 1.00 0.00 C ATOM 320 CG ARG A 24 -7.915 -14.375 2.452 1.00 0.00 C ATOM 321 CD ARG A 24 -9.398 -14.376 2.789 1.00 0.00 C ATOM 322 NE ARG A 24 -10.121 -15.423 2.073 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.347 -15.822 2.396 1.00 0.00 C ATOM 324 NH1 ARG A 24 -11.982 -15.263 3.417 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.940 -16.781 1.696 1.00 0.00 N ATOM 0 H ARG A 24 -6.388 -12.630 1.448 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.123 -13.031 4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.114 -14.445 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.546 -12.835 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.750 -13.810 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.583 -15.396 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.526 -14.516 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.827 -13.405 2.541 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.660 -15.873 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.530 -14.525 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.923 -15.571 3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.455 -17.213 0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.881 -17.087 1.945 1.00 0.00 H new ATOM 339 N ASN A 25 -4.645 -15.067 1.616 1.00 0.00 N ATOM 340 CA ASN A 25 -3.975 -16.293 1.196 1.00 0.00 C ATOM 341 C ASN A 25 -2.582 -15.992 0.651 1.00 0.00 C ATOM 342 O ASN A 25 -1.830 -16.902 0.304 1.00 0.00 O ATOM 343 CB ASN A 25 -4.805 -17.014 0.133 1.00 0.00 C ATOM 344 CG ASN A 25 -5.954 -17.802 0.733 1.00 0.00 C ATOM 345 OD1 ASN A 25 -5.751 -18.657 1.595 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.168 -17.517 0.278 1.00 0.00 N ATOM 0 H ASN A 25 -4.870 -14.426 0.855 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.873 -16.939 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.199 -16.284 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.161 -17.688 -0.431 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.980 -18.015 0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.289 -16.800 -0.437 1.00 0.00 H new ATOM 353 N SER A 26 -2.245 -14.708 0.579 1.00 0.00 N ATOM 354 CA SER A 26 -0.944 -14.286 0.073 1.00 0.00 C ATOM 355 C SER A 26 0.184 -14.898 0.898 1.00 0.00 C ATOM 356 O SER A 26 0.027 -15.155 2.092 1.00 0.00 O ATOM 357 CB SER A 26 -0.836 -12.760 0.093 1.00 0.00 C ATOM 358 OG SER A 26 -0.937 -12.259 1.415 1.00 0.00 O ATOM 0 H SER A 26 -2.855 -13.942 0.865 1.00 0.00 H new ATOM 0 HA SER A 26 -0.850 -14.636 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.115 -12.454 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.624 -12.328 -0.524 1.00 0.00 H new ATOM 0 HG SER A 26 -1.882 -12.185 1.666 1.00 0.00 H new ATOM 364 N LYS A 27 1.322 -15.129 0.253 1.00 0.00 N ATOM 365 CA LYS A 27 2.479 -15.710 0.924 1.00 0.00 C ATOM 366 C LYS A 27 3.551 -14.654 1.171 1.00 0.00 C ATOM 367 O LYS A 27 4.582 -14.934 1.783 1.00 0.00 O ATOM 368 CB LYS A 27 3.057 -16.855 0.090 1.00 0.00 C ATOM 369 CG LYS A 27 2.080 -17.995 -0.139 1.00 0.00 C ATOM 370 CD LYS A 27 2.483 -18.843 -1.333 1.00 0.00 C ATOM 371 CE LYS A 27 3.338 -20.029 -0.911 1.00 0.00 C ATOM 372 NZ LYS A 27 2.552 -21.033 -0.142 1.00 0.00 N ATOM 0 H LYS A 27 1.468 -14.922 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 27 2.151 -16.101 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.378 -16.464 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.945 -17.244 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.033 -18.620 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.080 -17.592 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.590 -19.201 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.035 -18.231 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.765 -20.502 -1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.172 -19.678 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.017 -21.961 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.497 -20.741 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.592 -21.099 -0.537 1.00 0.00 H new ATOM 386 N ASP A 28 3.301 -13.440 0.693 1.00 0.00 N ATOM 387 CA ASP A 28 4.245 -12.341 0.864 1.00 0.00 C ATOM 388 C ASP A 28 3.597 -11.008 0.503 1.00 0.00 C ATOM 389 O ASP A 28 2.504 -10.970 -0.061 1.00 0.00 O ATOM 390 CB ASP A 28 5.487 -12.569 0.002 1.00 0.00 C ATOM 391 CG ASP A 28 6.545 -13.387 0.717 1.00 0.00 C ATOM 392 OD1 ASP A 28 7.283 -12.810 1.543 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.635 -14.603 0.450 1.00 0.00 O ATOM 0 H ASP A 28 2.453 -13.192 0.184 1.00 0.00 H new ATOM 0 HA ASP A 28 4.542 -12.308 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.199 -13.077 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.909 -11.606 -0.285 1.00 0.00 H new ATOM 398 N SER A 29 4.279 -9.916 0.833 1.00 0.00 N ATOM 399 CA SER A 29 3.769 -8.580 0.548 1.00 0.00 C ATOM 400 C SER A 29 3.735 -8.321 -0.955 1.00 0.00 C ATOM 401 O SER A 29 2.882 -7.585 -1.450 1.00 0.00 O ATOM 402 CB SER A 29 4.631 -7.523 1.241 1.00 0.00 C ATOM 403 OG SER A 29 4.580 -7.666 2.649 1.00 0.00 O ATOM 0 H SER A 29 5.187 -9.930 1.298 1.00 0.00 H new ATOM 0 HA SER A 29 2.751 -8.517 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.663 -7.611 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.286 -6.528 0.961 1.00 0.00 H new ATOM 0 HG SER A 29 5.140 -6.980 3.068 1.00 0.00 H new ATOM 409 N TRP A 30 4.670 -8.931 -1.675 1.00 0.00 N ATOM 410 CA TRP A 30 4.748 -8.766 -3.122 1.00 0.00 C ATOM 411 C TRP A 30 3.439 -9.176 -3.788 1.00 0.00 C ATOM 412 O TRP A 30 2.998 -8.547 -4.750 1.00 0.00 O ATOM 413 CB TRP A 30 5.904 -9.593 -3.688 1.00 0.00 C ATOM 414 CG TRP A 30 7.180 -9.437 -2.917 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.983 -10.437 -2.449 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.797 -8.207 -2.523 1.00 0.00 C ATOM 417 NE1 TRP A 30 9.062 -9.903 -1.788 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.972 -8.537 -1.820 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.473 -6.858 -2.697 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.821 -7.568 -1.292 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.316 -5.898 -2.172 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.479 -6.256 -1.477 1.00 0.00 C ATOM 0 H TRP A 30 5.384 -9.544 -1.281 1.00 0.00 H new ATOM 0 HA TRP A 30 4.927 -7.712 -3.334 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.619 -10.645 -3.696 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.076 -9.302 -4.724 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.797 -11.493 -2.579 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.809 -10.437 -1.345 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.580 -6.572 -3.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.717 -7.842 -0.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.075 -4.853 -2.299 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.118 -5.481 -1.080 1.00 0.00 H new ATOM 433 N ASP A 31 2.823 -10.233 -3.271 1.00 0.00 N ATOM 434 CA ASP A 31 1.563 -10.726 -3.816 1.00 0.00 C ATOM 435 C ASP A 31 0.424 -9.758 -3.512 1.00 0.00 C ATOM 436 O ASP A 31 -0.350 -9.399 -4.398 1.00 0.00 O ATOM 437 CB ASP A 31 1.241 -12.107 -3.243 1.00 0.00 C ATOM 438 CG ASP A 31 0.444 -12.963 -4.208 1.00 0.00 C ATOM 439 OD1 ASP A 31 1.037 -13.462 -5.187 1.00 0.00 O ATOM 440 OD2 ASP A 31 -0.772 -13.133 -3.984 1.00 0.00 O ATOM 0 H ASP A 31 3.175 -10.765 -2.475 1.00 0.00 H new ATOM 0 HA ASP A 31 1.670 -10.806 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.170 -12.618 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.679 -11.991 -2.316 1.00 0.00 H new ATOM 445 N MET A 32 0.329 -9.340 -2.254 1.00 0.00 N ATOM 446 CA MET A 32 -0.716 -8.413 -1.834 1.00 0.00 C ATOM 447 C MET A 32 -0.728 -7.171 -2.720 1.00 0.00 C ATOM 448 O MET A 32 -1.681 -6.937 -3.465 1.00 0.00 O ATOM 449 CB MET A 32 -0.512 -8.009 -0.373 1.00 0.00 C ATOM 450 CG MET A 32 -1.200 -8.937 0.615 1.00 0.00 C ATOM 451 SD MET A 32 -0.831 -8.522 2.331 1.00 0.00 S ATOM 452 CE MET A 32 0.481 -9.688 2.686 1.00 0.00 C ATOM 0 H MET A 32 0.962 -9.628 -1.508 1.00 0.00 H new ATOM 0 HA MET A 32 -1.677 -8.918 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.556 -7.988 -0.156 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.887 -6.996 -0.229 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.278 -8.893 0.458 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.891 -9.964 0.419 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.165 -9.255 3.415 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.053 -10.605 3.090 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.024 -9.915 1.769 1.00 0.00 H new ATOM 462 N LEU A 33 0.334 -6.377 -2.634 1.00 0.00 N ATOM 463 CA LEU A 33 0.445 -5.158 -3.428 1.00 0.00 C ATOM 464 C LEU A 33 0.553 -5.484 -4.914 1.00 0.00 C ATOM 465 O LEU A 33 0.136 -4.699 -5.764 1.00 0.00 O ATOM 466 CB LEU A 33 1.662 -4.345 -2.982 1.00 0.00 C ATOM 467 CG LEU A 33 1.755 -4.041 -1.487 1.00 0.00 C ATOM 468 CD1 LEU A 33 3.048 -3.305 -1.171 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.551 -3.229 -1.032 1.00 0.00 C ATOM 0 H LEU A 33 1.131 -6.556 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.457 -4.567 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.562 -4.883 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.661 -3.400 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 33 1.757 -4.986 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.096 -3.097 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.898 -3.923 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.077 -2.367 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.634 -3.022 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.517 -2.289 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.362 -3.794 -1.222 1.00 0.00 H new ATOM 481 N GLY A 34 1.114 -6.650 -5.220 1.00 0.00 N ATOM 482 CA GLY A 34 1.264 -7.061 -6.603 1.00 0.00 C ATOM 483 C GLY A 34 2.500 -6.469 -7.252 1.00 0.00 C ATOM 484 O GLY A 34 2.515 -6.213 -8.456 1.00 0.00 O ATOM 0 H GLY A 34 1.467 -7.317 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.317 -8.149 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.381 -6.759 -7.167 1.00 0.00 H new ATOM 488 N VAL A 35 3.539 -6.250 -6.453 1.00 0.00 N ATOM 489 CA VAL A 35 4.785 -5.684 -6.956 1.00 0.00 C ATOM 490 C VAL A 35 5.927 -6.689 -6.852 1.00 0.00 C ATOM 491 O VAL A 35 5.795 -7.731 -6.210 1.00 0.00 O ATOM 492 CB VAL A 35 5.171 -4.405 -6.190 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.150 -3.305 -6.438 1.00 0.00 C ATOM 494 CG2 VAL A 35 5.303 -4.695 -4.702 1.00 0.00 C ATOM 0 H VAL A 35 3.543 -6.456 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 35 4.618 -5.435 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 35 6.138 -4.060 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.440 -2.409 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.109 -3.080 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.168 -3.637 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.576 -3.780 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.352 -5.065 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.075 -5.448 -4.545 1.00 0.00 H new ATOM 504 N LYS A 36 7.048 -6.370 -7.489 1.00 0.00 N ATOM 505 CA LYS A 36 8.216 -7.243 -7.468 1.00 0.00 C ATOM 506 C LYS A 36 9.052 -7.003 -6.215 1.00 0.00 C ATOM 507 O LYS A 36 9.042 -5.919 -5.631 1.00 0.00 O ATOM 508 CB LYS A 36 9.071 -7.016 -8.716 1.00 0.00 C ATOM 509 CG LYS A 36 9.740 -5.654 -8.756 1.00 0.00 C ATOM 510 CD LYS A 36 8.851 -4.614 -9.418 1.00 0.00 C ATOM 511 CE LYS A 36 9.673 -3.537 -10.110 1.00 0.00 C ATOM 512 NZ LYS A 36 10.357 -2.648 -9.131 1.00 0.00 N ATOM 0 H LYS A 36 7.173 -5.512 -8.027 1.00 0.00 H new ATOM 0 HA LYS A 36 7.867 -8.275 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.837 -7.789 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.445 -7.130 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.980 -5.336 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.683 -5.727 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.200 -5.100 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.206 -4.155 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.416 -4.006 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.024 -2.940 -10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.823 -1.868 -9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.657 -2.260 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.069 -3.194 -8.605 1.00 0.00 H new ATOM 526 N PRO A 37 9.796 -8.036 -5.792 1.00 0.00 N ATOM 527 CA PRO A 37 10.654 -7.960 -4.606 1.00 0.00 C ATOM 528 C PRO A 37 11.860 -7.053 -4.820 1.00 0.00 C ATOM 529 O PRO A 37 12.795 -7.406 -5.537 1.00 0.00 O ATOM 530 CB PRO A 37 11.104 -9.409 -4.400 1.00 0.00 C ATOM 531 CG PRO A 37 11.013 -10.029 -5.752 1.00 0.00 C ATOM 532 CD PRO A 37 9.856 -9.358 -6.439 1.00 0.00 C ATOM 0 HA PRO A 37 10.129 -7.537 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.121 -9.456 -4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.464 -9.925 -3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.937 -9.883 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.852 -11.105 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.021 -9.273 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.929 -9.915 -6.302 1.00 0.00 H new ATOM 540 N GLY A 38 11.833 -5.882 -4.192 1.00 0.00 N ATOM 541 CA GLY A 38 12.931 -4.942 -4.327 1.00 0.00 C ATOM 542 C GLY A 38 12.493 -3.620 -4.924 1.00 0.00 C ATOM 543 O GLY A 38 13.315 -2.735 -5.161 1.00 0.00 O ATOM 0 H GLY A 38 11.071 -5.567 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.376 -4.765 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.706 -5.381 -4.955 1.00 0.00 H new ATOM 547 N ALA A 39 11.194 -3.485 -5.170 1.00 0.00 N ATOM 548 CA ALA A 39 10.647 -2.261 -5.744 1.00 0.00 C ATOM 549 C ALA A 39 11.063 -1.041 -4.930 1.00 0.00 C ATOM 550 O ALA A 39 11.757 -1.163 -3.920 1.00 0.00 O ATOM 551 CB ALA A 39 9.131 -2.350 -5.829 1.00 0.00 C ATOM 0 H ALA A 39 10.500 -4.208 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 39 11.050 -2.148 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.736 -1.430 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.851 -3.194 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.718 -2.490 -4.830 1.00 0.00 H new ATOM 557 N SER A 40 10.635 0.136 -5.376 1.00 0.00 N ATOM 558 CA SER A 40 10.967 1.380 -4.691 1.00 0.00 C ATOM 559 C SER A 40 9.738 1.963 -3.999 1.00 0.00 C ATOM 560 O SER A 40 8.613 1.522 -4.232 1.00 0.00 O ATOM 561 CB SER A 40 11.538 2.396 -5.682 1.00 0.00 C ATOM 562 OG SER A 40 12.797 1.973 -6.177 1.00 0.00 O ATOM 0 H SER A 40 10.058 0.254 -6.209 1.00 0.00 H new ATOM 0 HA SER A 40 11.719 1.160 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.844 2.529 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.642 3.365 -5.195 1.00 0.00 H new ATOM 0 HG SER A 40 13.140 2.638 -6.810 1.00 0.00 H new ATOM 568 N ARG A 41 9.964 2.957 -3.146 1.00 0.00 N ATOM 569 CA ARG A 41 8.877 3.601 -2.418 1.00 0.00 C ATOM 570 C ARG A 41 7.681 3.847 -3.333 1.00 0.00 C ATOM 571 O ARG A 41 6.608 3.277 -3.136 1.00 0.00 O ATOM 572 CB ARG A 41 9.352 4.924 -1.815 1.00 0.00 C ATOM 573 CG ARG A 41 8.666 5.277 -0.505 1.00 0.00 C ATOM 574 CD ARG A 41 9.485 4.820 0.692 1.00 0.00 C ATOM 575 NE ARG A 41 9.346 5.728 1.828 1.00 0.00 N ATOM 576 CZ ARG A 41 8.202 5.930 2.472 1.00 0.00 C ATOM 577 NH1 ARG A 41 7.103 5.292 2.094 1.00 0.00 N ATOM 578 NH2 ARG A 41 8.156 6.771 3.497 1.00 0.00 N ATOM 0 H ARG A 41 10.890 3.334 -2.942 1.00 0.00 H new ATOM 0 HA ARG A 41 8.566 2.934 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.428 4.873 -1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.178 5.725 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.512 6.355 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.681 4.812 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.169 3.819 0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.535 4.752 0.408 1.00 0.00 H new ATOM 0 HE ARG A 41 10.173 6.235 2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.135 4.644 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.226 5.449 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.000 7.263 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.277 6.925 3.991 1.00 0.00 H new ATOM 592 N ASP A 42 7.873 4.699 -4.334 1.00 0.00 N ATOM 593 CA ASP A 42 6.811 5.021 -5.280 1.00 0.00 C ATOM 594 C ASP A 42 6.109 3.754 -5.760 1.00 0.00 C ATOM 595 O ASP A 42 4.881 3.678 -5.766 1.00 0.00 O ATOM 596 CB ASP A 42 7.378 5.788 -6.475 1.00 0.00 C ATOM 597 CG ASP A 42 8.251 4.920 -7.360 1.00 0.00 C ATOM 598 OD1 ASP A 42 9.077 4.159 -6.814 1.00 0.00 O ATOM 599 OD2 ASP A 42 8.108 5.001 -8.598 1.00 0.00 O ATOM 0 H ASP A 42 8.755 5.180 -4.511 1.00 0.00 H new ATOM 0 HA ASP A 42 6.081 5.649 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.556 6.193 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.960 6.636 -6.115 1.00 0.00 H new ATOM 604 N GLU A 43 6.898 2.763 -6.163 1.00 0.00 N ATOM 605 CA GLU A 43 6.352 1.500 -6.646 1.00 0.00 C ATOM 606 C GLU A 43 5.392 0.896 -5.625 1.00 0.00 C ATOM 607 O GLU A 43 4.260 0.540 -5.954 1.00 0.00 O ATOM 608 CB GLU A 43 7.480 0.512 -6.948 1.00 0.00 C ATOM 609 CG GLU A 43 8.140 0.737 -8.298 1.00 0.00 C ATOM 610 CD GLU A 43 7.152 1.160 -9.368 1.00 0.00 C ATOM 611 OE1 GLU A 43 6.799 2.357 -9.408 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.732 0.295 -10.164 1.00 0.00 O ATOM 0 H GLU A 43 7.917 2.810 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 43 5.800 1.701 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.236 0.587 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.083 -0.502 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.911 1.501 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.639 -0.180 -8.612 1.00 0.00 H new ATOM 619 N VAL A 44 5.853 0.783 -4.383 1.00 0.00 N ATOM 620 CA VAL A 44 5.037 0.223 -3.313 1.00 0.00 C ATOM 621 C VAL A 44 3.826 1.103 -3.026 1.00 0.00 C ATOM 622 O VAL A 44 2.766 0.612 -2.642 1.00 0.00 O ATOM 623 CB VAL A 44 5.852 0.052 -2.017 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.990 -0.557 -0.921 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.085 -0.801 -2.272 1.00 0.00 C ATOM 0 H VAL A 44 6.787 1.072 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 44 4.698 -0.756 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 44 6.182 1.036 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.582 -0.670 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.141 0.096 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.629 -1.534 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.649 -0.911 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.780 -1.784 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.711 -0.320 -3.023 1.00 0.00 H new ATOM 635 N ASN A 45 3.992 2.408 -3.218 1.00 0.00 N ATOM 636 CA ASN A 45 2.912 3.359 -2.980 1.00 0.00 C ATOM 637 C ASN A 45 1.880 3.302 -4.103 1.00 0.00 C ATOM 638 O ASN A 45 0.685 3.486 -3.873 1.00 0.00 O ATOM 639 CB ASN A 45 3.471 4.778 -2.857 1.00 0.00 C ATOM 640 CG ASN A 45 3.882 5.116 -1.437 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.060 5.546 -0.627 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.159 4.923 -1.128 1.00 0.00 N ATOM 0 H ASN A 45 4.864 2.831 -3.538 1.00 0.00 H new ATOM 0 HA ASN A 45 2.421 3.087 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.332 4.885 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.720 5.492 -3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.494 5.133 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.805 4.565 -1.831 1.00 0.00 H new ATOM 649 N LYS A 46 2.351 3.047 -5.319 1.00 0.00 N ATOM 650 CA LYS A 46 1.472 2.964 -6.479 1.00 0.00 C ATOM 651 C LYS A 46 0.633 1.690 -6.436 1.00 0.00 C ATOM 652 O LYS A 46 -0.575 1.723 -6.667 1.00 0.00 O ATOM 653 CB LYS A 46 2.292 3.004 -7.770 1.00 0.00 C ATOM 654 CG LYS A 46 2.482 4.404 -8.327 1.00 0.00 C ATOM 655 CD LYS A 46 3.411 5.230 -7.453 1.00 0.00 C ATOM 656 CE LYS A 46 3.387 6.699 -7.846 1.00 0.00 C ATOM 657 NZ LYS A 46 4.383 7.004 -8.910 1.00 0.00 N ATOM 0 H LYS A 46 3.338 2.894 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 46 0.800 3.822 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.270 2.561 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.801 2.387 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.889 4.343 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.515 4.901 -8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.117 5.127 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.428 4.846 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.389 6.965 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.592 7.313 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.045 7.803 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.293 7.253 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.508 6.170 -9.518 1.00 0.00 H new ATOM 671 N ALA A 47 1.282 0.570 -6.137 1.00 0.00 N ATOM 672 CA ALA A 47 0.595 -0.714 -6.060 1.00 0.00 C ATOM 673 C ALA A 47 -0.387 -0.742 -4.894 1.00 0.00 C ATOM 674 O ALA A 47 -1.418 -1.412 -4.954 1.00 0.00 O ATOM 675 CB ALA A 47 1.604 -1.845 -5.930 1.00 0.00 C ATOM 0 H ALA A 47 2.283 0.525 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 47 0.029 -0.851 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.077 -2.798 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.263 -1.846 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.195 -1.703 -5.025 1.00 0.00 H new ATOM 681 N TYR A 48 -0.061 -0.011 -3.834 1.00 0.00 N ATOM 682 CA TYR A 48 -0.913 0.046 -2.653 1.00 0.00 C ATOM 683 C TYR A 48 -2.157 0.888 -2.918 1.00 0.00 C ATOM 684 O TYR A 48 -3.229 0.620 -2.376 1.00 0.00 O ATOM 685 CB TYR A 48 -0.138 0.621 -1.466 1.00 0.00 C ATOM 686 CG TYR A 48 -1.013 1.334 -0.460 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.526 2.597 -0.727 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.327 0.743 0.758 1.00 0.00 C ATOM 689 CE1 TYR A 48 -2.325 3.252 0.190 1.00 0.00 C ATOM 690 CE2 TYR A 48 -2.127 1.391 1.681 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.623 2.645 1.392 1.00 0.00 C ATOM 692 OH TYR A 48 -3.419 3.294 2.307 1.00 0.00 O ATOM 0 H TYR A 48 0.788 0.551 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.228 -0.970 -2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.394 -0.187 -0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.615 1.316 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.296 3.075 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.940 -0.239 0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.714 4.234 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.362 0.918 2.623 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.130 2.690 2.608 1.00 0.00 H new ATOM 702 N ARG A 49 -2.006 1.907 -3.757 1.00 0.00 N ATOM 703 CA ARG A 49 -3.116 2.790 -4.095 1.00 0.00 C ATOM 704 C ARG A 49 -4.142 2.065 -4.961 1.00 0.00 C ATOM 705 O ARG A 49 -5.285 1.863 -4.550 1.00 0.00 O ATOM 706 CB ARG A 49 -2.603 4.033 -4.825 1.00 0.00 C ATOM 707 CG ARG A 49 -2.019 5.086 -3.898 1.00 0.00 C ATOM 708 CD ARG A 49 -1.588 6.326 -4.666 1.00 0.00 C ATOM 709 NE ARG A 49 -2.731 7.077 -5.178 1.00 0.00 N ATOM 710 CZ ARG A 49 -3.507 7.843 -4.420 1.00 0.00 C ATOM 711 NH1 ARG A 49 -3.264 7.959 -3.121 1.00 0.00 N ATOM 712 NH2 ARG A 49 -4.529 8.495 -4.959 1.00 0.00 N ATOM 0 H ARG A 49 -1.126 2.142 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.600 3.096 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.842 3.733 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.422 4.475 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.759 5.361 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.163 4.670 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.995 6.968 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.945 6.033 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.945 7.009 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.480 7.459 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.862 8.548 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.720 8.408 -5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.124 9.083 -4.375 1.00 0.00 H new ATOM 726 N LYS A 50 -3.727 1.677 -6.162 1.00 0.00 N ATOM 727 CA LYS A 50 -4.608 0.975 -7.087 1.00 0.00 C ATOM 728 C LYS A 50 -5.396 -0.114 -6.366 1.00 0.00 C ATOM 729 O LYS A 50 -6.548 -0.390 -6.705 1.00 0.00 O ATOM 730 CB LYS A 50 -3.797 0.360 -8.230 1.00 0.00 C ATOM 731 CG LYS A 50 -2.866 -0.754 -7.784 1.00 0.00 C ATOM 732 CD LYS A 50 -2.402 -1.596 -8.961 1.00 0.00 C ATOM 733 CE LYS A 50 -1.526 -2.754 -8.506 1.00 0.00 C ATOM 734 NZ LYS A 50 -2.330 -3.968 -8.193 1.00 0.00 N ATOM 0 H LYS A 50 -2.785 1.837 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.312 1.698 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.483 -0.030 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.210 1.143 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.001 -0.326 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.377 -1.389 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.269 -1.983 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.847 -0.971 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.801 -2.989 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.960 -2.456 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.697 -4.734 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.004 -3.751 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.851 -4.268 -9.042 1.00 0.00 H new ATOM 748 N LEU A 51 -4.770 -0.730 -5.369 1.00 0.00 N ATOM 749 CA LEU A 51 -5.414 -1.789 -4.599 1.00 0.00 C ATOM 750 C LEU A 51 -6.325 -1.203 -3.525 1.00 0.00 C ATOM 751 O LEU A 51 -7.524 -1.478 -3.497 1.00 0.00 O ATOM 752 CB LEU A 51 -4.360 -2.690 -3.954 1.00 0.00 C ATOM 753 CG LEU A 51 -4.756 -4.154 -3.761 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.208 -4.763 -5.080 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.597 -4.948 -3.176 1.00 0.00 C ATOM 0 H LEU A 51 -3.817 -0.515 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.022 -2.383 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.458 -2.656 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.101 -2.273 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.589 -4.195 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.486 -5.805 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.068 -4.211 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.394 -4.709 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.897 -5.988 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.744 -4.899 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.318 -4.527 -2.210 1.00 0.00 H new ATOM 767 N ALA A 52 -5.747 -0.393 -2.643 1.00 0.00 N ATOM 768 CA ALA A 52 -6.508 0.234 -1.570 1.00 0.00 C ATOM 769 C ALA A 52 -7.851 0.749 -2.077 1.00 0.00 C ATOM 770 O ALA A 52 -8.855 0.699 -1.367 1.00 0.00 O ATOM 771 CB ALA A 52 -5.706 1.368 -0.948 1.00 0.00 C ATOM 0 H ALA A 52 -4.755 -0.156 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.703 -0.520 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.286 1.828 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.775 0.974 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.482 2.115 -1.709 1.00 0.00 H new ATOM 777 N VAL A 53 -7.861 1.246 -3.310 1.00 0.00 N ATOM 778 CA VAL A 53 -9.081 1.771 -3.913 1.00 0.00 C ATOM 779 C VAL A 53 -10.091 0.657 -4.168 1.00 0.00 C ATOM 780 O VAL A 53 -11.295 0.845 -3.994 1.00 0.00 O ATOM 781 CB VAL A 53 -8.785 2.494 -5.240 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.079 2.934 -5.908 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.867 3.684 -5.004 1.00 0.00 C ATOM 0 H VAL A 53 -7.038 1.296 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.502 2.485 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.277 1.798 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.850 3.443 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.699 2.061 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.617 3.614 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.668 4.184 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.347 4.383 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.928 3.339 -4.572 1.00 0.00 H new ATOM 793 N LEU A 54 -9.592 -0.503 -4.580 1.00 0.00 N ATOM 794 CA LEU A 54 -10.450 -1.649 -4.859 1.00 0.00 C ATOM 795 C LEU A 54 -10.965 -2.271 -3.565 1.00 0.00 C ATOM 796 O LEU A 54 -12.030 -2.890 -3.542 1.00 0.00 O ATOM 797 CB LEU A 54 -9.688 -2.696 -5.674 1.00 0.00 C ATOM 798 CG LEU A 54 -10.486 -3.931 -6.093 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.466 -3.582 -7.203 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.550 -5.045 -6.538 1.00 0.00 C ATOM 0 H LEU A 54 -8.598 -0.675 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.305 -1.299 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.301 -2.216 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.827 -3.025 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.054 -4.282 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.025 -4.473 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.158 -2.817 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.918 -3.205 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.135 -5.916 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.955 -4.704 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.888 -5.314 -5.715 1.00 0.00 H new ATOM 812 N LEU A 55 -10.205 -2.101 -2.490 1.00 0.00 N ATOM 813 CA LEU A 55 -10.585 -2.644 -1.190 1.00 0.00 C ATOM 814 C LEU A 55 -11.045 -1.535 -0.250 1.00 0.00 C ATOM 815 O LEU A 55 -11.360 -1.784 0.914 1.00 0.00 O ATOM 816 CB LEU A 55 -9.411 -3.401 -0.568 1.00 0.00 C ATOM 817 CG LEU A 55 -8.609 -4.293 -1.517 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.242 -4.605 -0.929 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.370 -5.578 -1.811 1.00 0.00 C ATOM 0 H LEU A 55 -9.321 -1.591 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.415 -3.334 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.731 -2.675 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.793 -4.020 0.244 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.465 -3.756 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.686 -5.241 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.694 -3.676 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.365 -5.122 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.785 -6.201 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.545 -6.118 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.326 -5.337 -2.276 1.00 0.00 H new ATOM 831 N HIS A 56 -11.084 -0.309 -0.763 1.00 0.00 N ATOM 832 CA HIS A 56 -11.508 0.839 0.030 1.00 0.00 C ATOM 833 C HIS A 56 -12.857 0.573 0.693 1.00 0.00 C ATOM 834 O HIS A 56 -13.773 0.016 0.089 1.00 0.00 O ATOM 835 CB HIS A 56 -11.597 2.088 -0.848 1.00 0.00 C ATOM 836 CG HIS A 56 -11.473 3.369 -0.082 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.556 4.154 0.251 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.385 3.999 0.419 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.140 5.214 0.922 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.826 5.143 1.038 1.00 0.00 N ATOM 0 H HIS A 56 -10.827 -0.085 -1.724 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.765 1.004 0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.812 2.048 -1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.549 2.082 -1.378 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.361 3.664 0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.767 6.003 1.309 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.235 5.827 1.511 1.00 0.00 H new ATOM 848 N PRO A 57 -12.981 0.979 1.965 1.00 0.00 N ATOM 849 CA PRO A 57 -14.214 0.794 2.738 1.00 0.00 C ATOM 850 C PRO A 57 -15.348 1.683 2.240 1.00 0.00 C ATOM 851 O PRO A 57 -16.513 1.464 2.574 1.00 0.00 O ATOM 852 CB PRO A 57 -13.805 1.194 4.158 1.00 0.00 C ATOM 853 CG PRO A 57 -12.658 2.126 3.974 1.00 0.00 C ATOM 854 CD PRO A 57 -11.930 1.650 2.747 1.00 0.00 C ATOM 0 HA PRO A 57 -14.596 -0.224 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.627 1.678 4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.517 0.323 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.005 3.152 3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.003 2.115 4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.487 2.479 2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.120 0.967 3.001 1.00 0.00 H new ATOM 862 N ASP A 58 -15.002 2.684 1.439 1.00 0.00 N ATOM 863 CA ASP A 58 -15.992 3.605 0.894 1.00 0.00 C ATOM 864 C ASP A 58 -16.479 3.133 -0.473 1.00 0.00 C ATOM 865 O ASP A 58 -17.482 3.624 -0.990 1.00 0.00 O ATOM 866 CB ASP A 58 -15.403 5.012 0.780 1.00 0.00 C ATOM 867 CG ASP A 58 -16.466 6.067 0.544 1.00 0.00 C ATOM 868 OD1 ASP A 58 -17.020 6.583 1.537 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.745 6.377 -0.634 1.00 0.00 O ATOM 0 H ASP A 58 -14.043 2.879 1.152 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.843 3.629 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.856 5.249 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.683 5.036 -0.038 1.00 0.00 H new ATOM 874 N LYS A 59 -15.762 2.176 -1.052 1.00 0.00 N ATOM 875 CA LYS A 59 -16.120 1.636 -2.358 1.00 0.00 C ATOM 876 C LYS A 59 -16.442 0.148 -2.262 1.00 0.00 C ATOM 877 O LYS A 59 -17.112 -0.410 -3.132 1.00 0.00 O ATOM 878 CB LYS A 59 -14.981 1.858 -3.355 1.00 0.00 C ATOM 879 CG LYS A 59 -14.547 3.309 -3.469 1.00 0.00 C ATOM 880 CD LYS A 59 -13.080 3.424 -3.852 1.00 0.00 C ATOM 881 CE LYS A 59 -12.555 4.834 -3.627 1.00 0.00 C ATOM 882 NZ LYS A 59 -11.104 4.838 -3.293 1.00 0.00 N ATOM 0 H LYS A 59 -14.929 1.758 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.009 2.161 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.125 1.254 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.294 1.503 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.160 3.815 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.717 3.816 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.493 2.718 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.954 3.150 -4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.723 5.432 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.115 5.306 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.921 5.543 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.823 3.896 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.553 5.078 -4.142 1.00 0.00 H new ATOM 896 N CYS A 60 -15.963 -0.489 -1.199 1.00 0.00 N ATOM 897 CA CYS A 60 -16.201 -1.912 -0.989 1.00 0.00 C ATOM 898 C CYS A 60 -16.795 -2.166 0.393 1.00 0.00 C ATOM 899 O CYS A 60 -16.084 -2.155 1.398 1.00 0.00 O ATOM 900 CB CYS A 60 -14.898 -2.697 -1.149 1.00 0.00 C ATOM 901 SG CYS A 60 -15.130 -4.479 -1.349 1.00 0.00 S ATOM 0 H CYS A 60 -15.408 -0.042 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.915 -2.250 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.358 -2.312 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.269 -2.519 -0.276 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.972 -5.055 -1.479 1.00 0.00 H new ATOM 907 N VAL A 61 -18.104 -2.393 0.436 1.00 0.00 N ATOM 908 CA VAL A 61 -18.795 -2.649 1.695 1.00 0.00 C ATOM 909 C VAL A 61 -18.719 -4.123 2.073 1.00 0.00 C ATOM 910 O VAL A 61 -19.411 -4.578 2.983 1.00 0.00 O ATOM 911 CB VAL A 61 -20.274 -2.225 1.619 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.389 -0.722 1.415 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.988 -2.979 0.508 1.00 0.00 C ATOM 0 H VAL A 61 -18.707 -2.405 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.293 -2.055 2.459 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.755 -2.477 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.441 -0.441 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.915 -0.204 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.893 -0.442 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.032 -2.667 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.508 -2.761 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.937 -4.050 0.704 1.00 0.00 H new ATOM 923 N ALA A 62 -17.871 -4.866 1.369 1.00 0.00 N ATOM 924 CA ALA A 62 -17.702 -6.290 1.633 1.00 0.00 C ATOM 925 C ALA A 62 -17.207 -6.530 3.055 1.00 0.00 C ATOM 926 O ALA A 62 -16.569 -5.673 3.669 1.00 0.00 O ATOM 927 CB ALA A 62 -16.739 -6.903 0.626 1.00 0.00 C ATOM 0 H ALA A 62 -17.291 -4.506 0.612 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.674 -6.771 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.622 -7.966 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.134 -6.772 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.770 -6.410 0.702 1.00 0.00 H new ATOM 933 N PRO A 63 -17.506 -7.721 3.594 1.00 0.00 N ATOM 934 CA PRO A 63 -17.101 -8.100 4.950 1.00 0.00 C ATOM 935 C PRO A 63 -15.596 -8.316 5.067 1.00 0.00 C ATOM 936 O PRO A 63 -14.994 -8.018 6.097 1.00 0.00 O ATOM 937 CB PRO A 63 -17.849 -9.414 5.190 1.00 0.00 C ATOM 938 CG PRO A 63 -18.078 -9.973 3.828 1.00 0.00 C ATOM 939 CD PRO A 63 -18.263 -8.789 2.920 1.00 0.00 C ATOM 0 HA PRO A 63 -17.334 -7.322 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.263 -10.097 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.791 -9.244 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.232 -10.581 3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.957 -10.617 3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.877 -8.985 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.315 -8.528 2.810 1.00 0.00 H new ATOM 947 N GLY A 64 -14.993 -8.836 4.002 1.00 0.00 N ATOM 948 CA GLY A 64 -13.562 -9.082 4.006 1.00 0.00 C ATOM 949 C GLY A 64 -12.769 -7.898 3.490 1.00 0.00 C ATOM 950 O GLY A 64 -11.564 -7.802 3.720 1.00 0.00 O ATOM 0 H GLY A 64 -15.469 -9.091 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.240 -9.317 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.345 -9.956 3.392 1.00 0.00 H new ATOM 954 N SER A 65 -13.446 -6.995 2.789 1.00 0.00 N ATOM 955 CA SER A 65 -12.795 -5.813 2.234 1.00 0.00 C ATOM 956 C SER A 65 -11.986 -5.086 3.303 1.00 0.00 C ATOM 957 O SER A 65 -10.905 -4.566 3.031 1.00 0.00 O ATOM 958 CB SER A 65 -13.836 -4.866 1.634 1.00 0.00 C ATOM 959 OG SER A 65 -14.538 -4.171 2.649 1.00 0.00 O ATOM 0 H SER A 65 -14.445 -7.058 2.591 1.00 0.00 H new ATOM 0 HA SER A 65 -12.115 -6.139 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.345 -4.152 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.539 -5.433 1.024 1.00 0.00 H new ATOM 0 HG SER A 65 -15.164 -4.782 3.091 1.00 0.00 H new ATOM 965 N GLU A 66 -12.519 -5.055 4.521 1.00 0.00 N ATOM 966 CA GLU A 66 -11.847 -4.391 5.632 1.00 0.00 C ATOM 967 C GLU A 66 -10.501 -5.048 5.924 1.00 0.00 C ATOM 968 O GLU A 66 -9.455 -4.404 5.850 1.00 0.00 O ATOM 969 CB GLU A 66 -12.727 -4.426 6.883 1.00 0.00 C ATOM 970 CG GLU A 66 -12.045 -3.870 8.122 1.00 0.00 C ATOM 971 CD GLU A 66 -12.565 -4.493 9.403 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.364 -5.710 9.595 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.172 -3.762 10.213 1.00 0.00 O ATOM 0 H GLU A 66 -13.413 -5.482 4.763 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.671 -3.353 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.637 -3.857 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.029 -5.455 7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.971 -4.041 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.194 -2.791 8.161 1.00 0.00 H new ATOM 980 N ASP A 67 -10.537 -6.333 6.258 1.00 0.00 N ATOM 981 CA ASP A 67 -9.321 -7.079 6.562 1.00 0.00 C ATOM 982 C ASP A 67 -8.306 -6.946 5.431 1.00 0.00 C ATOM 983 O ASP A 67 -7.109 -6.793 5.673 1.00 0.00 O ATOM 984 CB ASP A 67 -9.648 -8.554 6.800 1.00 0.00 C ATOM 985 CG ASP A 67 -8.547 -9.277 7.550 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.030 -8.711 8.537 1.00 0.00 O ATOM 987 OD2 ASP A 67 -8.201 -10.408 7.151 1.00 0.00 O ATOM 0 H ASP A 67 -11.395 -6.880 6.325 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.885 -6.661 7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.578 -8.631 7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.814 -9.046 5.841 1.00 0.00 H new ATOM 992 N ALA A 68 -8.792 -7.007 4.196 1.00 0.00 N ATOM 993 CA ALA A 68 -7.927 -6.892 3.028 1.00 0.00 C ATOM 994 C ALA A 68 -7.059 -5.641 3.108 1.00 0.00 C ATOM 995 O ALA A 68 -5.831 -5.721 3.066 1.00 0.00 O ATOM 996 CB ALA A 68 -8.759 -6.879 1.754 1.00 0.00 C ATOM 0 H ALA A 68 -9.780 -7.135 3.978 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.267 -7.759 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.100 -6.793 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.331 -7.804 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.443 -6.031 1.775 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.705 -4.485 3.222 1.00 0.00 N ATOM 1003 CA PHE A 69 -6.992 -3.216 3.306 1.00 0.00 C ATOM 1004 C PHE A 69 -5.972 -3.239 4.441 1.00 0.00 C ATOM 1005 O PHE A 69 -4.809 -2.880 4.254 1.00 0.00 O ATOM 1006 CB PHE A 69 -7.978 -2.065 3.515 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.373 -0.708 3.294 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -6.288 -0.289 4.047 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.887 0.147 2.334 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -5.729 0.959 3.847 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.332 1.396 2.128 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.251 1.802 2.885 1.00 0.00 C ATOM 0 H PHE A 69 -8.721 -4.401 3.258 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.461 -3.064 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.822 -2.192 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.374 -2.116 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.874 -0.945 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.732 -0.166 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.885 1.275 4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.743 2.053 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.814 2.777 2.725 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.416 -3.663 5.619 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.545 -3.735 6.785 1.00 0.00 C ATOM 1024 C LYS A 70 -4.224 -4.413 6.437 1.00 0.00 C ATOM 1025 O LYS A 70 -3.153 -3.937 6.811 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.237 -4.495 7.919 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.035 -3.600 8.852 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.173 -4.359 9.513 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.655 -5.372 10.523 1.00 0.00 C ATOM 1030 NZ LYS A 70 -8.753 -5.932 11.359 1.00 0.00 N ATOM 0 H LYS A 70 -7.376 -3.962 5.791 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.335 -2.717 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.903 -5.244 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.485 -5.031 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.376 -3.191 9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.436 -2.755 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.840 -3.655 10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.761 -4.871 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.149 -6.182 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.914 -4.897 11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.360 -6.618 12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.220 -5.162 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.447 -6.407 10.747 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.308 -5.527 5.716 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.119 -6.268 5.314 1.00 0.00 C ATOM 1046 C ALA A 71 -2.227 -5.426 4.408 1.00 0.00 C ATOM 1047 O ALA A 71 -1.032 -5.276 4.662 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.515 -7.560 4.615 1.00 0.00 C ATOM 0 H ALA A 71 -5.187 -5.936 5.399 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.552 -6.512 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.618 -8.104 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.105 -8.175 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.106 -7.328 3.729 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.815 -4.879 3.349 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.074 -4.051 2.405 1.00 0.00 C ATOM 1056 C VAL A 72 -1.126 -3.103 3.132 1.00 0.00 C ATOM 1057 O VAL A 72 -0.001 -2.872 2.689 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.023 -3.227 1.515 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.232 -2.289 0.616 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.911 -4.147 0.690 1.00 0.00 C ATOM 0 H VAL A 72 -3.803 -4.994 3.123 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.496 -4.728 1.777 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.663 -2.622 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.919 -1.715 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.643 -1.608 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.566 -2.871 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.575 -3.549 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.290 -4.779 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.505 -4.773 1.356 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.588 -2.557 4.252 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.781 -1.635 5.043 1.00 0.00 C ATOM 1072 C VAL A 73 0.416 -2.346 5.663 1.00 0.00 C ATOM 1073 O VAL A 73 1.552 -1.889 5.543 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.612 -0.980 6.162 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.736 -0.084 7.023 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.775 -0.196 5.573 1.00 0.00 C ATOM 0 H VAL A 73 -2.517 -2.737 4.632 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.427 -0.860 4.363 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.019 -1.767 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.341 0.370 7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.059 -0.678 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.297 0.699 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.351 0.260 6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.392 0.583 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.416 -0.869 5.004 1.00 0.00 H new ATOM 1086 N ASN A 74 0.154 -3.467 6.326 1.00 0.00 N ATOM 1087 CA ASN A 74 1.210 -4.242 6.966 1.00 0.00 C ATOM 1088 C ASN A 74 2.249 -4.693 5.944 1.00 0.00 C ATOM 1089 O ASN A 74 3.441 -4.760 6.243 1.00 0.00 O ATOM 1090 CB ASN A 74 0.618 -5.459 7.680 1.00 0.00 C ATOM 1091 CG ASN A 74 0.531 -6.673 6.776 1.00 0.00 C ATOM 1092 OD1 ASN A 74 -0.561 -7.134 6.440 1.00 0.00 O ATOM 1093 ND2 ASN A 74 1.683 -7.198 6.377 1.00 0.00 N ATOM 0 H ASN A 74 -0.781 -3.859 6.434 1.00 0.00 H new ATOM 0 HA ASN A 74 1.701 -3.603 7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.230 -5.700 8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.377 -5.212 8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.687 -8.016 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.564 -6.783 6.680 1.00 0.00 H new ATOM 1100 N ALA A 75 1.788 -5.002 4.736 1.00 0.00 N ATOM 1101 CA ALA A 75 2.676 -5.444 3.669 1.00 0.00 C ATOM 1102 C ALA A 75 3.425 -4.266 3.055 1.00 0.00 C ATOM 1103 O ALA A 75 4.643 -4.316 2.878 1.00 0.00 O ATOM 1104 CB ALA A 75 1.888 -6.186 2.600 1.00 0.00 C ATOM 0 H ALA A 75 0.804 -4.954 4.473 1.00 0.00 H new ATOM 0 HA ALA A 75 3.411 -6.124 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.564 -6.510 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.404 -7.056 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.131 -5.524 2.181 1.00 0.00 H new ATOM 1110 N ARG A 76 2.690 -3.207 2.730 1.00 0.00 N ATOM 1111 CA ARG A 76 3.285 -2.018 2.134 1.00 0.00 C ATOM 1112 C ARG A 76 4.244 -1.342 3.109 1.00 0.00 C ATOM 1113 O ARG A 76 5.458 -1.340 2.904 1.00 0.00 O ATOM 1114 CB ARG A 76 2.193 -1.033 1.710 1.00 0.00 C ATOM 1115 CG ARG A 76 2.730 0.316 1.262 1.00 0.00 C ATOM 1116 CD ARG A 76 1.768 1.442 1.608 1.00 0.00 C ATOM 1117 NE ARG A 76 2.394 2.755 1.484 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.968 3.836 2.128 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.921 3.759 2.938 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.591 4.996 1.964 1.00 0.00 N ATOM 0 H ARG A 76 1.681 -3.149 2.870 1.00 0.00 H new ATOM 0 HA ARG A 76 3.848 -2.327 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.615 -1.472 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.507 -0.883 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.694 0.501 1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.902 0.301 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.900 1.391 0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.405 1.308 2.627 1.00 0.00 H new ATOM 0 HE ARG A 76 3.203 2.847 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.441 2.868 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.596 4.590 3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.398 5.058 1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.263 5.825 2.459 1.00 0.00 H new ATOM 1134 N THR A 77 3.690 -0.767 4.173 1.00 0.00 N ATOM 1135 CA THR A 77 4.494 -0.086 5.179 1.00 0.00 C ATOM 1136 C THR A 77 5.749 -0.885 5.513 1.00 0.00 C ATOM 1137 O THR A 77 6.845 -0.332 5.594 1.00 0.00 O ATOM 1138 CB THR A 77 3.692 0.153 6.473 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.653 1.108 6.235 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.599 0.649 7.588 1.00 0.00 C ATOM 0 H THR A 77 2.687 -0.760 4.359 1.00 0.00 H new ATOM 0 HA THR A 77 4.781 0.876 4.755 1.00 0.00 H new ATOM 0 HB THR A 77 3.250 -0.795 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.147 1.253 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.010 0.811 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.371 -0.094 7.786 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.066 1.587 7.287 1.00 0.00 H new ATOM 1148 N ALA A 78 5.580 -2.189 5.706 1.00 0.00 N ATOM 1149 CA ALA A 78 6.700 -3.065 6.028 1.00 0.00 C ATOM 1150 C ALA A 78 7.796 -2.965 4.973 1.00 0.00 C ATOM 1151 O ALA A 78 8.940 -2.627 5.282 1.00 0.00 O ATOM 1152 CB ALA A 78 6.223 -4.504 6.163 1.00 0.00 C ATOM 0 H ALA A 78 4.678 -2.662 5.645 1.00 0.00 H new ATOM 0 HA ALA A 78 7.119 -2.742 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.070 -5.147 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.481 -4.568 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.776 -4.829 5.223 1.00 0.00 H new ATOM 1158 N LEU A 79 7.441 -3.262 3.728 1.00 0.00 N ATOM 1159 CA LEU A 79 8.396 -3.206 2.626 1.00 0.00 C ATOM 1160 C LEU A 79 9.094 -1.851 2.579 1.00 0.00 C ATOM 1161 O LEU A 79 10.310 -1.773 2.398 1.00 0.00 O ATOM 1162 CB LEU A 79 7.687 -3.475 1.298 1.00 0.00 C ATOM 1163 CG LEU A 79 7.076 -4.866 1.132 1.00 0.00 C ATOM 1164 CD1 LEU A 79 6.132 -4.896 -0.060 1.00 0.00 C ATOM 1165 CD2 LEU A 79 8.169 -5.914 0.976 1.00 0.00 C ATOM 0 H LEU A 79 6.499 -3.544 3.456 1.00 0.00 H new ATOM 0 HA LEU A 79 9.150 -3.976 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.895 -2.736 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.400 -3.315 0.490 1.00 0.00 H new ATOM 0 HG LEU A 79 6.503 -5.099 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.707 -5.894 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.330 -4.174 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.682 -4.641 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.715 -6.898 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.770 -5.685 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.805 -5.911 1.861 1.00 0.00 H new ATOM 1177 N LEU A 80 8.318 -0.786 2.744 1.00 0.00 N ATOM 1178 CA LEU A 80 8.862 0.568 2.722 1.00 0.00 C ATOM 1179 C LEU A 80 10.025 0.703 3.701 1.00 0.00 C ATOM 1180 O LEU A 80 10.992 1.417 3.437 1.00 0.00 O ATOM 1181 CB LEU A 80 7.771 1.583 3.066 1.00 0.00 C ATOM 1182 CG LEU A 80 6.550 1.594 2.145 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.513 2.588 2.644 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.962 1.922 0.717 1.00 0.00 C ATOM 0 H LEU A 80 7.310 -0.833 2.894 1.00 0.00 H new ATOM 0 HA LEU A 80 9.232 0.768 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.432 1.391 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.214 2.579 3.061 1.00 0.00 H new ATOM 0 HG LEU A 80 6.103 0.600 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.652 2.582 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.195 2.309 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.948 3.587 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.081 1.925 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.434 2.904 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.667 1.171 0.360 1.00 0.00 H new ATOM 1196 N LYS A 81 9.924 0.011 4.831 1.00 0.00 N ATOM 1197 CA LYS A 81 10.968 0.050 5.848 1.00 0.00 C ATOM 1198 C LYS A 81 12.343 -0.164 5.225 1.00 0.00 C ATOM 1199 O LYS A 81 13.313 0.496 5.596 1.00 0.00 O ATOM 1200 CB LYS A 81 10.708 -1.015 6.915 1.00 0.00 C ATOM 1201 CG LYS A 81 9.332 -0.917 7.551 1.00 0.00 C ATOM 1202 CD LYS A 81 9.187 0.354 8.371 1.00 0.00 C ATOM 1203 CE LYS A 81 9.580 0.128 9.823 1.00 0.00 C ATOM 1204 NZ LYS A 81 11.028 0.389 10.053 1.00 0.00 N ATOM 0 H LYS A 81 9.129 -0.584 5.065 1.00 0.00 H new ATOM 0 HA LYS A 81 10.950 1.035 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.822 -2.002 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.466 -0.929 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.568 -0.939 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.162 -1.784 8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.811 1.138 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.156 0.704 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.987 0.779 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.346 -0.898 10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.481 -0.471 10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.479 0.660 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.137 1.161 10.741 1.00 0.00 H new ATOM 1218 N ASN A 82 12.420 -1.091 4.275 1.00 0.00 N ATOM 1219 CA ASN A 82 13.677 -1.391 3.600 1.00 0.00 C ATOM 1220 C ASN A 82 14.071 -0.259 2.656 1.00 0.00 C ATOM 1221 O ASN A 82 15.251 0.068 2.521 1.00 0.00 O ATOM 1222 CB ASN A 82 13.561 -2.703 2.821 1.00 0.00 C ATOM 1223 CG ASN A 82 14.889 -3.427 2.707 1.00 0.00 C ATOM 1224 OD1 ASN A 82 15.398 -3.644 1.608 1.00 0.00 O ATOM 1225 ND2 ASN A 82 15.455 -3.806 3.847 1.00 0.00 N ATOM 0 H ASN A 82 11.627 -1.647 3.956 1.00 0.00 H new ATOM 0 HA ASN A 82 14.453 -1.494 4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.837 -3.352 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.176 -2.497 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.348 -4.298 3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.997 -3.605 4.736 1.00 0.00 H new ATOM 1232 N ILE A 83 13.076 0.334 2.005 1.00 0.00 N ATOM 1233 CA ILE A 83 13.319 1.431 1.075 1.00 0.00 C ATOM 1234 C ILE A 83 13.691 2.709 1.818 1.00 0.00 C ATOM 1235 O ILE A 83 12.890 3.257 2.574 1.00 0.00 O ATOM 1236 CB ILE A 83 12.087 1.703 0.192 1.00 0.00 C ATOM 1237 CG1 ILE A 83 11.850 0.534 -0.766 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.266 3.001 -0.581 1.00 0.00 C ATOM 1239 CD1 ILE A 83 10.989 -0.563 -0.179 1.00 0.00 C ATOM 0 H ILE A 83 12.095 0.074 2.104 1.00 0.00 H new ATOM 0 HA ILE A 83 14.151 1.128 0.440 1.00 0.00 H new ATOM 0 HB ILE A 83 11.213 1.803 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.378 0.909 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.812 0.113 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.387 3.180 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.391 3.827 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.149 2.927 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.863 -1.359 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.470 -0.965 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.013 -0.157 0.087 1.00 0.00 H new ATOM 1251 N LYS A 84 14.913 3.181 1.595 1.00 0.00 N ATOM 1252 CA LYS A 84 15.393 4.398 2.240 1.00 0.00 C ATOM 1253 C LYS A 84 14.720 5.631 1.645 1.00 0.00 C ATOM 1254 O LYS A 84 14.620 5.767 0.426 1.00 0.00 O ATOM 1255 CB LYS A 84 16.912 4.512 2.094 1.00 0.00 C ATOM 1256 CG LYS A 84 17.681 3.509 2.937 1.00 0.00 C ATOM 1257 CD LYS A 84 19.031 4.060 3.365 1.00 0.00 C ATOM 1258 CE LYS A 84 20.099 3.798 2.313 1.00 0.00 C ATOM 1259 NZ LYS A 84 21.414 4.377 2.702 1.00 0.00 N ATOM 0 H LYS A 84 15.589 2.739 0.972 1.00 0.00 H new ATOM 0 HA LYS A 84 15.139 4.343 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.179 4.374 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 84 17.221 5.520 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.096 3.250 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 84 17.825 2.590 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.948 5.132 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.329 3.604 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.205 2.724 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.783 4.223 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 22.115 4.177 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.319 5.406 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 21.729 3.953 3.598 1.00 0.00 H new ATOM 1273 N SER A 85 14.262 6.527 2.513 1.00 0.00 N ATOM 1274 CA SER A 85 13.597 7.748 2.073 1.00 0.00 C ATOM 1275 C SER A 85 14.615 8.847 1.786 1.00 0.00 C ATOM 1276 O SER A 85 14.804 9.250 0.638 1.00 0.00 O ATOM 1277 CB SER A 85 12.602 8.222 3.134 1.00 0.00 C ATOM 1278 OG SER A 85 12.136 9.529 2.846 1.00 0.00 O ATOM 0 H SER A 85 14.339 6.430 3.525 1.00 0.00 H new ATOM 0 HA SER A 85 13.057 7.528 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.758 7.533 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.077 8.210 4.115 1.00 0.00 H new ATOM 0 HG SER A 85 11.500 9.809 3.537 1.00 0.00 H new ATOM 1284 N GLY A 86 15.269 9.329 2.838 1.00 0.00 N ATOM 1285 CA GLY A 86 16.260 10.378 2.679 1.00 0.00 C ATOM 1286 C GLY A 86 17.409 10.243 3.658 1.00 0.00 C ATOM 1287 O GLY A 86 17.212 10.023 4.853 1.00 0.00 O ATOM 0 H GLY A 86 15.131 9.012 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 86 16.649 10.355 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.783 11.348 2.815 1.00 0.00 H new ATOM 1291 N PRO A 87 18.644 10.375 3.149 1.00 0.00 N ATOM 1292 CA PRO A 87 19.854 10.269 3.970 1.00 0.00 C ATOM 1293 C PRO A 87 20.014 11.449 4.922 1.00 0.00 C ATOM 1294 O PRO A 87 20.493 12.513 4.531 1.00 0.00 O ATOM 1295 CB PRO A 87 20.983 10.258 2.937 1.00 0.00 C ATOM 1296 CG PRO A 87 20.420 10.965 1.753 1.00 0.00 C ATOM 1297 CD PRO A 87 18.953 10.638 1.734 1.00 0.00 C ATOM 0 HA PRO A 87 19.836 9.388 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 87 21.871 10.765 3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 87 21.280 9.240 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.579 12.041 1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 87 20.905 10.635 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.362 11.465 1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.743 9.770 1.109 1.00 0.00 H new ATOM 1305 N SER A 88 19.610 11.254 6.173 1.00 0.00 N ATOM 1306 CA SER A 88 19.706 12.304 7.180 1.00 0.00 C ATOM 1307 C SER A 88 20.098 11.723 8.535 1.00 0.00 C ATOM 1308 O SER A 88 19.586 10.682 8.948 1.00 0.00 O ATOM 1309 CB SER A 88 18.375 13.050 7.298 1.00 0.00 C ATOM 1310 OG SER A 88 18.052 13.712 6.087 1.00 0.00 O ATOM 0 H SER A 88 19.213 10.378 6.513 1.00 0.00 H new ATOM 0 HA SER A 88 20.480 13.004 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.582 12.347 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 88 18.432 13.776 8.109 1.00 0.00 H new ATOM 0 HG SER A 88 17.197 14.180 6.188 1.00 0.00 H new ATOM 1316 N SER A 89 21.009 12.404 9.223 1.00 0.00 N ATOM 1317 CA SER A 89 21.473 11.954 10.530 1.00 0.00 C ATOM 1318 C SER A 89 20.895 12.825 11.641 1.00 0.00 C ATOM 1319 O SER A 89 20.242 13.835 11.378 1.00 0.00 O ATOM 1320 CB SER A 89 23.002 11.982 10.589 1.00 0.00 C ATOM 1321 OG SER A 89 23.494 11.036 11.522 1.00 0.00 O ATOM 0 H SER A 89 21.440 13.269 8.897 1.00 0.00 H new ATOM 0 HA SER A 89 21.129 10.930 10.678 1.00 0.00 H new ATOM 0 HB2 SER A 89 23.411 11.770 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 89 23.340 12.980 10.866 1.00 0.00 H new ATOM 0 HG SER A 89 24.473 11.073 11.540 1.00 0.00 H new ATOM 1327 N GLY A 90 21.139 12.426 12.886 1.00 0.00 N ATOM 1328 CA GLY A 90 20.636 13.180 14.019 1.00 0.00 C ATOM 1329 C GLY A 90 20.121 12.285 15.128 1.00 0.00 C ATOM 1330 O GLY A 90 20.878 11.506 15.708 1.00 0.00 O ATOM 0 H GLY A 90 21.676 11.594 13.130 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.430 13.817 14.409 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.834 13.839 13.686 1.00 0.00 H new TER 1334 GLY A 90